5-Aminobenzimidazole - ≥98%(HPLC) , CAS No.934-22-5

CAS: 934-22-5 Cat. No.: A151159 Molecular Weight: 133.15 EC Number: 213-279-0

GRADE & PURITY ≥98%(HPLC)

Synonyms

1H-Benzimidazol-6-amine | 3H-benzimidazol-5-ylamine | 5-aminobenzimidazole, AldrichCPR | MFCD00465258 | NSC 231612 | UNII-7L7289019S | 5-Aminobenzimidazole | 5-amino-benzimidazole | Z1741960823 | 1H-benzimidazol-5-ylamine | F2158-1066 | SCHEMBL115965 | 5-

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

1H-Benzimidazol-6-amine | 3H-benzimidazol-5-ylamine | 5-aminobenzimidazole, AldrichCPR | MFCD00465258 | NSC 231612 | UNII-7L7289019S | 5-Aminobenzimidazole | 5-amino-benzimidazole | Z1741960823 | 1H-benzimidazol-5-ylamine | F2158-1066 | SCHEMBL115965 | 5-

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488181879
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181879
• Canonical Smiles: C1=CC2=C(C=C1N)NC=N2
• IUPAC Name: 3H-benzimidazol-5-amine
• InChIKey: WFRXSXUDWCVSPI-UHFFFAOYSA-N
• INCHI: 1S/C7H7N3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2,(H,9,10)
• Isomeric SMILES: C1=CC2=C(C=C1N)NC=N2
• WGK Germany: 3
• Molecular Weight: 133.15
• Reaxy-Rn: 606928
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606928&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Benzenoids Imidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

PRKCI Tchem Protein kinase C iota (2821 Activities)

Discover Target: PRKCI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HepG2 (196354 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly soluble in Methanol
• Sensitivity: air sensitive
• Boil Point(°C): 222 °C/3.5 mmHg
• Melt Point(°C): 163 °C
• Molecular Weight: 133.150 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 133.064 Da
• Monoisotopic Mass: 133.064 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Ning Li, Chao Ma, Mao Ye, Xiangyu Guo, Zhihua Qiao, Chongli Zhong.  (2023)  Mechanochemical synthesized amino-functionalized ultramicroporous ZIF based mixed-matrix membranes for CO2 separation.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2023.121733]

2. Yuying Sui, Jinhui Li, Tao Wang, Deliang Sun, Chao Huang, Fan Zhang, Liang Shan, Fangfang Niu, Guoping Zhang, Rong Sun.  (2021)  Low temperature curing polyimides with covalent-boned 5-aminobenzimidazole.  POLYMER,      [PMID:] [10.1016/j.polymer.2021.123514]

3. Cun-Xiang Wang, Dong-Qiang Lin, Tao Liu, Shan-Jing Yao.  (2016)  Hydrophobic charge-induction chromatographic resin with 5-aminobenzimidazol ligand: Effects of ligand density on protein adsorption.  SEPARATION SCIENCE AND TECHNOLOGY,      [PMID:] [10.1080/01496395.2016.1175477]

4. Zhufeng Hu, Yuchen Tong, Min Wang, Bing Sun, Huijuan Bai, Junbo Xu, Chao Yang.  (2024)  5-aminobenzimidazole@graphene oxide nanosheets doped polyimide nanocomposites: Low-temperature curing and improved mechanical properties.  POLYMER COMPOSITES,      [PMID:] [10.1002/pc.28766]